SCHEMBL412953

SCHEMBL412953

c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 1.00
MAPK14 Q16539 1/20 1.00
PDE5A O76074 4/20 0.88
KDM4E B2RXH2 3/20 0.88
ALDH1A1 P00352 3/20 0.88
HPGD P15428 2/20 0.88
SMN1; SMN2 Q16637 2/20 0.88
POLB P06746 1/20 0.88
ABCG2 Q9UNQ0 9/20 0.82
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
RXFP1 Q9HBX9 1/20 0.77
CYP1A2 P05177 3/20 0.76
CYP3A4 P08684 3/20 0.76
MAPT P10636 3/20 0.76
LMNA P02545 3/20 0.76
CYP2D6 P10635 2/20 0.76
MAPK1 P28482 2/20 0.76
CYP2C19 P33261 2/20 0.76
USP2 O75604 2/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31061048 1.00 TGFBR1 (1.00) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL14262837 0.97 KDM4E (0.94) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL7434986 0.94 ALDH1A1 (1.00) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL413202 0.93 TGFBR1 (0.86) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL3460305 0.91 ALDH1A1 (0.94) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL1063103 0.90 ABCG2 (1.00) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL1064901 0.90 TGFBR1 (0.82) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL14344353 0.90 LATS1 (0.89) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL22201578 0.90 HPGD (0.86) TGFBR1MAPK14PDE5AKDM4EALDH1A1
SCHEMBL22201668 0.88 KDM4E (0.84) TGFBR1MAPK14PDE5AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US claimed
US-20140031547-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODE-GENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED 2014-01-30 US claimed
EP-2651405-A2 CASEIN KINASE 1 (CK1 ) INHIBITORS Electrophoretics Limited (GB) 2013-10-23 EP claimed
WO-2012080729-A2 CASEIN KINASE 1δ (CK1δ) INHIBITORS ELECTROPHORETICS LIMITED (GB) 2012-06-21 WO claimed
EP-1107959-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2006-10-11 EP claimed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 US claimed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US claimed
CN-1152867-C Quinazoline derivatives as medicaments �����ɷ� 2004-06-09 CN claimed
US-20030069248-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2003-04-10 US claimed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US claimed
US-20020161010-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2002-10-31 US claimed
JP-2002523502-A 2002-07-30 JP claimed
CN-1333757-A Quinazoline derivatives as medicaments SCIOS INC (US) 2002-01-30 CN claimed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 US claimed
EP-1107959-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2001-06-20 EP claimed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US claimed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 WO claimed
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 US disclosed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US disclosed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020161010-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 24/4885PDE5A 846/4885
US-20140031547-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODE-GENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1G3 TGFBR1 2376/4885MAPK14 871/4885PDE5A 2434/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 TGFBR1 4/4885MAPK14 40/4885PDE5A 1211/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 24/4885PDE5A 846/4885
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D TGFBR1 3476/4885MAPK14 636/4885PDE5A 2076/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.